SCHEMBL18012772

SCHEMBL18012772

CC(=O)O/N=C(\c1ccccc1)c1ccc2c(c1)C(C)(C)c1cc(/C(=N/OC(C)=O)c3ccccc3)ccc1-2

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.42
▸ RXRB P28702 1/20 0.42
▸ RXRG P48443 1/20 0.42
▸ ALDH1A1 P00352 8/20 0.41
▸ KMT2A Q03164 5/20 0.41
▸ POLB P06746 2/20 0.41
▸ MAPT P10636 3/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ MEN1 O00255 1/20 0.38
▸ PDK2 Q15119 3/20 0.37
▸ HNF4A P41235 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ ELANE P08246 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ PKM P14618 1/20 0.35
▸ CDK5 Q00535 1/20 0.35
▸ CDK5R1 Q15078 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22985750 0.90 ALDH1A1 (0.41) ALDH1A1KMT2APOLBMAPTMEN1
SCHEMBL18012777 0.86 ALDH1A1 (0.39) RXRARXRBRXRGALDH1A1KMT2A
SCHEMBL18012822 0.84 ALDH1A1 (0.41) RXRARXRBRXRGALDH1A1KMT2A
SCHEMBL17877630 0.83 PDK2 (0.48) RXRARXRBRXRGALDH1A1MAPT
SCHEMBL18012819 0.82 CYP2C19 (0.36) RXRARXRBRXRGALDH1A1KMT2A
SCHEMBL18012784 0.81 RAB9A (0.41) ALDH1A1KMT2APOLBMAPTMAPK1
SCHEMBL213829 0.81 ALDH1A1 (0.51) ALDH1A1KMT2APOLBMAPTMAPK1
SCHEMBL18351201 0.80 HPGD (0.39) RXRARXRBRXRGALDH1A1KMT2A
SCHEMBL17877638 0.79 MAP2 (0.36) RXRARXRBRXRGALDH1A1KMT2A
SCHEMBL18235835 0.79 PDK2 (0.41) KMT2APOLBMAPTPDK2SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016126070-A1 NOVEL OXIMESTER DERIVATIVE COMPOUND, AND PHOTOPOLYMERIZATION INITIATOR AND PHOTORESIST COMPOSITION CONTAINING SAME 한국화학연구원 2016-08-11 — — WO disclosed
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